General Information of the Compound
| Compound ID |
CP0521376
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| Compound Name |
5-amino-8-chloro-N-(2,3-dihydro-1H-inden-2-yl)-7,12-dimethyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C20H18ClN5OS
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| Molecular Weight |
411.918
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| Canonical SMILES |
Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1
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| InChI |
InChI=1S/C20H18ClN5OS/c1-9-14-16(22)17(28-20(14)26-10(2)24-25-18(26)15(9)21)19(27)23-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,22H2,1-2H3,(H,23,27)
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| InChIKey |
NWCNTZHOXRNLCM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound